5-Methylisatin
Properties
- Molecular formula
- C9H7NO2
- Molar mass
- 161.16 g/mol
- Exact mass
- 161.0477 Da
- Melting point
- 195–200 °C (decomposes)
- logP
- 1.13Crippen estimate
- Polar surface area
- 46.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
608-05-9SMILES
Cc1ccc2c(c1)C(=O)C(=O)N2InChIKey
VAJCSPZKMVQIAP-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1H-Indole-2,3-dione, 5-methyl-
- Indole-2,3-dione, 5-methyl-
- Isatin, 5-methyl-
- 5-Methyl-1H-indole-2,3-dione
- 5-Methylindole-2,3-dione
- 5-Methyl-2,3-indolinedione
- NSC 9398
- 5-Methyl-2,3-dihydro-2,3-dioxoindole
Work with 5-Methylisatin
Similar compounds
5-Chloroisatin17630-76-160 % similar
5-Iodoisatin20780-76-160 % similar
5-Fluoroisatin443-69-660 % similar
5-Bromoisatin87-48-960 % similar
5-Methoxyisatin39755-95-859 % similar
5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-457 % similar
Isatin91-56-556 % similar
5,7-Dimethyl-2,3-dihydro-1H-indole-2,3-dione39603-24-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.